with open("mofbokeh.py") as f:
exec(f.read())Bandgap
- 8,500 materials
- DFT calculations using Quantum Espresso
- Cheminformatic libraries (RDKit, pymatgen, matminer)

- Conductivity of MOFs reveals a bimodal distribution (Top)
- Gaussian mixture model used to fit the data (Bottom)
- Bimodality partly due to open shells (Inset)



Stratifying different variables by metals shows which ones perform better.
